COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.909  -0.955   0.391  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.965  -0.001  -0.720  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.108   0.654  -1.181  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.069   1.065  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.906   0.832   1.074  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.780   0.185   1.543  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.805  -0.235   0.654  1.00  0.00           C  
HETATM    8  C   UNL     1       1.882   1.805   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       1.301   2.181  -0.970  1.00  0.00           C  
HETATM   10  C   UNL     1       1.624   3.397  -1.543  1.00  0.00           C  
HETATM   11  C   UNL     1       2.526   4.237  -0.919  1.00  0.00           C  
HETATM   12  C   UNL     1       4.261  -2.444   0.145  1.00  0.00           C  
HETATM   13  C   UNL     1       3.107   3.861   0.278  1.00  0.00           C  
HETATM   14  C   UNL     1       2.785   2.645   0.851  1.00  0.00           C  
HETATM   15  C   UNL     1       3.233  -2.830  -0.952  1.00  0.00           C  
HETATM   16  C   UNL     1       1.988  -2.012  -0.558  1.00  0.00           C  
HETATM   17  C   UNL     1       1.024  -2.895   0.235  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.238  -2.094   0.567  1.00  0.00           C  
HETATM   19  C   UNL     1       0.028  -0.732  -1.421  1.00  0.00           C  
HETATM   20  C   UNL     1       1.298  -1.488  -1.818  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.075  -1.023  -0.423  1.00  0.00           C  
HETATM   22  N   UNL     1       2.440  -0.890   0.272  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.865  -1.630  -0.677  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.862  -0.511  -1.334  1.00  0.00           N  
HETATM   25  O   UNL     1       1.849   0.345   2.326  1.00  0.00           O  
HETATM   26  O   UNL     1       0.139  -0.040   0.544  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.622  -0.876   0.796  1.00  0.00           O  
HETATM   28  S   UNL     1       1.465   0.258   0.961  1.00  0.00           S  
HETATM   29  H   UNL     1       4.222  -0.652   1.390  1.00  0.00           H  
HETATM   30  H   UNL     1       4.379  -0.322  -0.361  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.239   0.839  -2.237  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.954   1.572  -0.638  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.665   1.159   1.769  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.660   0.007   2.601  1.00  0.00           H  
HETATM   35  H   UNL     1       0.596   1.524  -1.458  1.00  0.00           H  
HETATM   36  H   UNL     1       1.171   3.690  -2.478  1.00  0.00           H  
HETATM   37  H   UNL     1       2.779   5.187  -1.366  1.00  0.00           H  
HETATM   38  H   UNL     1       5.282  -2.547  -0.223  1.00  0.00           H  
HETATM   39  H   UNL     1       4.112  -3.036   1.048  1.00  0.00           H  
HETATM   40  H   UNL     1       3.812   4.517   0.766  1.00  0.00           H  
HETATM   41  H   UNL     1       3.239   2.351   1.786  1.00  0.00           H  
HETATM   42  H   UNL     1       3.591  -2.536  -1.938  1.00  0.00           H  
HETATM   43  H   UNL     1       3.018  -3.899  -0.920  1.00  0.00           H  
HETATM   44  H   UNL     1       0.755  -3.767  -0.362  1.00  0.00           H  
HETATM   45  H   UNL     1       1.503  -3.219   1.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.938  -2.728   1.112  1.00  0.00           H  
HETATM   47  H   UNL     1       0.029  -1.235   1.182  1.00  0.00           H  
HETATM   48  H   UNL     1       0.293   0.119  -0.793  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.479  -0.377  -2.318  1.00  0.00           H  
HETATM   50  H   UNL     1       1.972  -0.816  -2.348  1.00  0.00           H  
HETATM   51  H   UNL     1       1.036  -2.326  -2.464  1.00  0.00           H  
CONECT    1   12   22   29   30                                       
CONECT    2   24    7    7    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7   27    2    2    6                                       
CONECT    8   28    9    9   14                                       
CONECT    9    8    8   10   35                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   13   37                                       
CONECT   12   15    1   38   39                                       
CONECT   13   14   14   11   40                                       
CONECT   14    8   13   13   41                                       
CONECT   15   12   16   42   43                                       
CONECT   16   15   17   20   22                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   23   46   47                                       
CONECT   19   20   23   48   49                                       
CONECT   20   16   19   50   51                                       
CONECT   21   23   24   24   27                                       
CONECT   22   16    1   28                                            
CONECT   23   18   19   21                                            
CONECT   24   21   21    2                                            
CONECT   25   28   28                                                 
CONECT   26   28   28                                                 
CONECT   27   21    7                                                 
CONECT   28   22   26   26    8                                       
CONECT   28   25   25                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
